methyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate

C10H10F3NO3 — CID 81319393

IUPACmethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate
SMILESCOC(=O)CCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H10F3NO3/c1-17-9(16)5-6-14-7(10(11,12)13)3-2-4-8(14)15/h2-4H,5-6H2,1H3
InChIKeyFQYWVKGOWBMIOZ-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.43
Rot. Bonds3

About methyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate

methyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate (PubChem CID 81319393) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is methyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate
PubChem CID81319393
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Namemethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate
SMILESCOC(=O)CCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C10H10F3NO3/c1-17-9(16)5-6-14-7(10(11,12)13)3-2-4-8(14)15/h2-4H,5-6H2,1H3
InChIKeyFQYWVKGOWBMIOZ-UHFFFAOYSA-N
XLogP1.43
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 81319391
1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319664
1-(5-sulfanylpentyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319674
1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319773
methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate
CID 60875653
1-[2-(4-chloroanilino)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310742
1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319024
1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310661
1-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310834
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81320327
1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one
CID 103065846
methyl 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoate
CID 55026654

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate?
The IUPAC name of methyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate (CID 81319393) is methyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate.
What is the SMILES notation for methyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate?
The canonical SMILES for methyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate is COC(=O)CCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of methyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate?
The InChIKey is FQYWVKGOWBMIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-17-9(16)5-6-14-7(10(11,12)13)3-2-4-8(14)15/h2-4H,5-6H2,1H3.
What are the key properties of methyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate?
methyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate has a molecular weight of 249.19 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate is sourced from PubChem (CID 81319393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).